v4.2.0

Fixed:

• gsd.hoomd.read_log no longer iterates over the file more than necessary (#459).
• Debug log entries are no longer duplicated (#459).

Added:

• gsd.hoomd.read_log now accepts glob_pattern to restrict the returned data (#459).
• debug attribute for gsd.fl.GSDFile, which toggles debug logging for performance-sensitive methods (#459).
• Provide linux aarch64 binary wheels on PyPI.

v4.1.0

• Build with abi3 for Python >=3.11 (#459).
• Remove support for Python <3.11 following NEP29 (#459).

v4.0.0

Fixed:

• Type hints for HoomdTrajectory._read_frame and downstream methods are now correct (#417).
• Sync changes to disk on macOS (#429).
• Sync index entries to disk before returning from flush (#429).
• Work around macOS bug that mysteriously allocated 16 MB of extra disk blocks beyond the end of the file (#429).

Changed:

• No longer test with clang 10, 11, or 12 (#422).
• [breaking] end_frame, find_chunk, find_matching_chunk_names, and read_chunk no longer implicitly call flush. The caller must manually call flush (or close the file) before chunks can be read. This behavior extends to the high level gsd.hoomd Python API (#429).
• Set the default write buffer to 1 MB (#429).

Removed:

• index_entries_to_buffer (#429).

v3.4.2

Fixed:

• Make NumPy 2.0 requirement optional (#405).

v3.4.1

Fixed:

• Prevent downgrading file versions when opening in write mode.

v3.4.0

Added:

• GSD_TYPE_CHARACTER chunk type for string data - valid in file layer versions 2.1 and later (#391).

Changed:

• The log dictionary in a hoomd frame now accepts string values. read_log correspondingly produces a NumPy array of variable length strings (#391).
• Require NumPy >= 2.0 (#391).

v3.3.2

Added:

• Support Python 3.13 (#388).

Removed:

• Support for Python 3.9 (#388).

v3.3.1

Changed:

• Improved build instructions (#376).

v3.3.0

Added:

• Support numpy 2.0 (#367).

Changed:

• Navigate the documentation with arrow keys (#365).
• Add button to copy code snippets from the documentation (#365).
• Remove singularity reference from the documentation (#365).

Removed:

• Support for Python 3.8 (#367).

v3.2.1

Fixed:

• Write all pending index entries to the file when gsd_flush() is called after gsd_write_chunk() and before gsd_end_frame() (#319).
• Readthedocs builds with pandas 2.2.0 (#322).
• Import without seg fault when built with CMake on macOS (#323).
• Internal cached data remains valid when users modify frames obtained by indexing trajectories (#324).

Changed:

• Provide support via GitHub discussions (#308).
• Use ruff (#317).
• Perform fewer implicit flushes when using the gsd.hoomd python API (#325).